SCHEMBL8735808

SCHEMBL8735808

C=CCNC(=O)c1c(Cl)cccc1OC(CC)(CC)CC

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.64
ALDH1A1 P00352 4/20 0.64
CYP1A2 P05177 2/20 0.49
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
SLC6A9 P48067 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8732638 0.89 HPGD (0.63) HPGDALDH1A1CYP1A2LMNAPOLB
SCHEMBL8733078 0.89 HPGD (0.63) HPGDALDH1A1CYP1A2LMNAPOLB
SCHEMBL8733084 0.86 HPGD (0.66) HPGDALDH1A1CYP1A2LMNAPOLB
SCHEMBL8732672 0.84 SLC6A9 (0.43) HPGDALDH1A1POLBRAB9ASLC6A9
SCHEMBL8733070 0.83 HPGD (0.61) HPGDALDH1A1CYP1A2LMNAPOLB
SCHEMBL8761609 0.79 ALDH1A1 (0.45) HPGDALDH1A1CYP1A2LMNAPOLB
SCHEMBL8730834 0.77 HPGD (0.66) HPGDALDH1A1CYP1A2LMNAPOLB
SCHEMBL8733069 0.76 HPGD (0.64) HPGDALDH1A1CYP1A2LMNAPOLB
SCHEMBL8730884 0.75 HPGD (0.60) HPGDALDH1A1CYP1A2LMNAPOLB
SCHEMBL7217388 0.75 ALDH1A1 (0.44) HPGDALDH1A1LMNAPOLBPKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749416-B1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO CO (US) 1998-12-23 EP disclosed